(5S)-4-amino-5-benzyl-5-methyl-3-phenylmethoxyfuran-2-one

C19H19NO3 — CID 11404091

IUPAC(5S)-4-amino-5-benzyl-5-methyl-3-phenylmethoxyfuran-2-one
SMILESC[C@@]1(Cc2ccccc2)OC(=O)C(OCc2ccccc2)=C1N
InChIInChI=1S/C19H19NO3/c1-19(12-14-8-4-2-5-9-14)17(20)16(18(21)23-19)22-13-15-10-6-3-7-11-15/h2-11H,12-13,20H2,1H3/t19-/m0/s1
InChIKeyCMEDRVGAOHOSDL-IBGZPJMESA-N
MW309.37 g/mol
LogP2.93
Rot. Bonds5

About (5S)-4-amino-5-benzyl-5-methyl-3-phenylmethoxyfuran-2-one

(5S)-4-amino-5-benzyl-5-methyl-3-phenylmethoxyfuran-2-one (PubChem CID 11404091) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is (5S)-4-amino-5-benzyl-5-methyl-3-phenylmethoxyfuran-2-one.

Molecular Properties

Compound Name(5S)-4-amino-5-benzyl-5-methyl-3-phenylmethoxyfuran-2-one
PubChem CID11404091
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name(5S)-4-amino-5-benzyl-5-methyl-3-phenylmethoxyfuran-2-one
SMILESC[C@@]1(Cc2ccccc2)OC(=O)C(OCc2ccccc2)=C1N
InChIInChI=1S/C19H19NO3/c1-19(12-14-8-4-2-5-9-14)17(20)16(18(21)23-19)22-13-15-10-6-3-7-11-15/h2-11H,12-13,20H2,1H3/t19-/m0/s1
InChIKeyCMEDRVGAOHOSDL-IBGZPJMESA-N
XLogP2.93
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 57435374
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CID 163610086
3,3-dimethyl-7-phenylmethoxy-2-benzofuran-1-one
CID 15261919
3-benzyl-3,6,7-trimethyl-2-benzofuran-1-one
CID 121005754
3-benzyl-7-fluoro-3-methyl-2-benzofuran-1-one
CID 132933679
3,3-dimethyl-5-phenylmethoxy-2-benzofuran-1-one
CID 122389437
5-benzyl-5-methyl-4-oxofuran-2-carboxylic acid
CID 117000037
5-[[3,5-bis(phenylmethoxy)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168599819
1-benzyl-3-methyl-2,4-dioxabicyclo[1.1.0]butane
CID 141419517
2,2-dimethyl-5-(5-methylsulfonyl-2-pyridinyl)-4-phenylmethoxyfuran-3-one
CID 141406059
5-benzyl-5-methyl-3-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one
CID 13045960
(5R)-2,2-dimethyl-5-(4-phenylmethoxyphenyl)-1,3-dioxolan-4-one
CID 11066450

Frequently Asked Questions

What is the IUPAC name of (5S)-4-amino-5-benzyl-5-methyl-3-phenylmethoxyfuran-2-one?
The IUPAC name of (5S)-4-amino-5-benzyl-5-methyl-3-phenylmethoxyfuran-2-one (CID 11404091) is (5S)-4-amino-5-benzyl-5-methyl-3-phenylmethoxyfuran-2-one.
What is the SMILES notation for (5S)-4-amino-5-benzyl-5-methyl-3-phenylmethoxyfuran-2-one?
The canonical SMILES for (5S)-4-amino-5-benzyl-5-methyl-3-phenylmethoxyfuran-2-one is C[C@@]1(Cc2ccccc2)OC(=O)C(OCc2ccccc2)=C1N.
What is the InChIKey of (5S)-4-amino-5-benzyl-5-methyl-3-phenylmethoxyfuran-2-one?
The InChIKey is CMEDRVGAOHOSDL-IBGZPJMESA-N. The full InChI is InChI=1S/C19H19NO3/c1-19(12-14-8-4-2-5-9-14)17(20)16(18(21)23-19)22-13-15-10-6-3-7-11-15/h2-11H,12-13,20H2,1H3/t19-/m0/s1.
What are the key properties of (5S)-4-amino-5-benzyl-5-methyl-3-phenylmethoxyfuran-2-one?
(5S)-4-amino-5-benzyl-5-methyl-3-phenylmethoxyfuran-2-one has a molecular weight of 309.37 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4-amino-5-benzyl-5-methyl-3-phenylmethoxyfuran-2-one is sourced from PubChem (CID 11404091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).